(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)C2=C(N=CC=C2)N3C=NC=N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)C2=C(N=CC=C2)N3C=NC=N3)C

InChI

InChI=1S/C20H20N4O3/c1-12-8-13(2)18(15(4)25)14(3)17(12)9-27-20(26)16-6-5-7-22-19(16)24-11-21-10-23-24/h5-8,10-11H,9H2,1-4H3